[molpro-user] permanent dipole moment

[Kirk Peterson]

At these levels of theory the dipole moment is automatically printed out in the output file.

-Kirk


On Jan 3, 2011, at 12:08 PM, Łukasz Miądowicz wrote:

> Hi molpro users!
> 
> I have a question is it possible to calculate permanent dipole moments for diatomic molecules using molpro package ?
> In my calculations I'm using RHF, CASSCF and CI methods .
> 
> What functions should I use to calculate this
> 
> Thank you very much for any answers 
> 
> Łukasz Miądowicz 
> 
> -- 
> Department of Theoretical Physics and Quantum Informatics
> Faculty of Applied Physics and Mathematics
> Gdansk University of Technology
> ul. Gabriela Narutowicza 11/12
> 80-233 Gdansk, Poland
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